2-(phenylmethylsulfanyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(phenylmethylsulfanyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(phenylmethylthio)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]propan-1-one Formula: C21H23F3N2O3S2 MolecularWeight: 472.54413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)SCC3=CC=CC=C3

InChI

InChI=1S/C21H23F3N2O3S2/c1-16(30-15-17-6-3-2-4-7-17)20(27)25-10-12-26(13-11-25)31(28,29)19-9-5-8-18(14-19)21(22,23)24/h2-9,14,16H,10-13,15H2,1H3